Geometry & MOs

Info

ID:	249855
PubChem CID:	103092535
Reduced:	BrFNC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	227.087705
ΔH_f, kcal/mol:	-19.28
Dipole, Da:	3.49
IP(EA), eV:	-9.11(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-chloro-6-fluorophenyl)-N-ethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations